[8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H29ClN2O2 — CID 91921802

IUPAC[8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C19H29ClN2O2/c1-24-10-9-22-13-17(14-23)19(15-22)5-7-21(8-6-19)12-16-3-2-4-18(20)11-16/h2-4,11,17,23H,5-10,12-15H2,1H3
InChIKeyYEKMKYXPNXCTJG-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.49
Rot. Bonds6

About [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921802) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921802
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name[8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C19H29ClN2O2/c1-24-10-9-22-13-17(14-23)19(15-22)5-7-21(8-6-19)12-16-3-2-4-18(20)11-16/h2-4,11,17,23H,5-10,12-15H2,1H3
InChIKeyYEKMKYXPNXCTJG-UHFFFAOYSA-N
XLogP2.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921802) is [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is COCCN1CC(CO)C2(CCN(Cc3cccc(Cl)c3)CC2)C1.
What is the InChIKey of [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is YEKMKYXPNXCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-24-10-9-22-13-17(14-23)19(15-22)5-7-21(8-6-19)12-16-3-2-4-18(20)11-16/h2-4,11,17,23H,5-10,12-15H2,1H3.
What are the key properties of [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 352.91 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).